[Wien] Bug for Fixed Spin Moment?

[Peter Blaha]

> By using the latest version of wien2k, after initialization process, normal
> spin polarised calculation is fine. However, for fsm by using
> "runfsm_lapw -m  xx ", it will crash at the first "lapw1 -up", and give the
> error warning: the required input file *.in2up can not be found". Indeed, it
> is empty, as well as *.in2dn. Even I create these two files manually
> beforehand, nothing help as the calculation will overlap these two files as
> empty again.
>
> Previous version is fine.

???? What means    previous version is fine ????

What do you get by   diff  runfsm_present runfsm_previous ?????
Does this happen on different computers ???

Do you have any case.in2 or case.in2c file ?
Is the content  ok ?

Maybe your tcsh does not understand some of the "if" statements right
at the "start" label ???

Eventually you have to analyse it by putting -x in the first line of the
runfsm script.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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